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Geometry for C2H4O (Ethylene oxide) 1A1 C2V

1910171554
InChI=1S/C2H4O/c1-2-3-1/h1-2H2 INChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N

B1B95/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8466   0.0000 0.8466 0.0000
C2 0.0000 0.7311 -0.3691   0.7311 -0.3691 0.0000
C3 0.0000 -0.7311 -0.3691   -0.7311 -0.3691 0.0000
H4 0.9199 1.2670 -0.5860   1.2670 -0.5860 0.9199
H5 -0.9199 1.2670 -0.5860   1.2670 -0.5860 -0.9199
H6 -0.9199 -1.2670 -0.5860   -1.2670 -0.5860 -0.9199
H7 0.9199 -1.2670 -0.5860   -1.2670 -0.5860 0.9199
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4186 1.4186 2.1223 2.1223 2.1223 2.1223
C2 1.4186 1.4623 1.0865 1.0865 2.2104 2.2104
C3 1.4186 1.4623 2.2104 2.2104 1.0865 1.0865
H4 2.1223 1.0865 2.2104 1.8399 3.1316 2.5341
H5 2.1223 1.0865 2.2104 1.8399 2.5341 3.1316
H6 2.1223 2.2104 1.0865 3.1316 2.5341 1.8399
H7 2.1223 2.2104 1.0865 2.5341 3.1316 1.8399
Maximum atom distance is 3.1316Å between atoms H4 and H6.
picture of Ethylene oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 58.977 O1 C3 C2 58.977
C2 O1 C3 62.047
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.169 O1 C2 H5 115.169
O1 C3 H6 115.169 O1 C3 H7 115.169
C2 C3 H6 119.552 C2 C3 H7 119.552
C3 C2 H4 119.552 C3 C2 H5 119.552
H4 C2 H5 115.706 H6 C3 H7 115.706

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.